3-(imidazol-1-ylmethyl)-4-oxidanyl-3,4-dihydro-2H-chromene-6-carboxylic acid

Systemtic Name: 3-(imidazol-1-ylmethyl)-4-oxidanyl-3,4-dihydro-2H-chromene-6-carboxylic acid Openeye Name: 4-hydroxy-3-(imidazol-1-ylmethyl)chromane-6-carboxylic acid CAS Name: 4-hydroxy-3-(1-imidazolylmethyl)-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid IUPAC Name: 4-hydroxy-3-(imidazol-1-ylmethyl)-3,4-dihydro-2H-chromene-6-carboxylic acid Traditional Name: 4-hydroxy-3-(imidazol-1-ylmethyl)chroman-6-carboxylic acid Formula: C14H14N2O4 MolecularWeight: 274.27196

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C2=C(O1)C=CC(=C2)C(=O)O)O)CN3C=CN=C3

Isomeric SMILES

C1C(C(C2=C(O1)C=CC(=C2)C(=O)O)O)CN3C=CN=C3

InChI

InChI=1S/C14H14N2O4/c17-13-10(6-16-4-3-15-8-16)7-20-12-2-1-9(14(18)19)5-11(12)13/h1-5,8,10,13,17H,6-7H2,(H,18,19)